Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-6-hydroxy-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK564190
SMILES COc1ccc(cc1)OCC(Cn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(O)nc(=O)n2C)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H25BrN6O5 MW 569.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN6O5/c1-31-22-21(23(34)29-25(31)35)32(14-18(33)15-37-20-10-8-19(36-2)9-11-20)24(28-22)30-27-13-17(26)12-16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H,28,30)(H,29,34,35)/b17-12-,27-13+InChIKey
ARUIFABENFOYJO-UDABPILISA-NSynonyms
8((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)6hydroxy7(2hydroxy3(4methoxyphenoxy)propyl)3methyl37dihydro2Hpurin2one
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)7(2hydroxy3(4methoxyphenoxy)propyl)3methylpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC(COC4=CC=C(C=C4)OC)O
COc1ccc(cc1)OCC(Cn1c(NN=CC(=Cc2ccccc2)Br)nc2c1c(O)nc(=O)n2C)O
InChI=1SC25H25BrN6O5c1312221(23(34)2925(31)35)32(1418(33)15372010819(362)91120)24(2822)30271317(26)12166435716h3131833H1415H212H3(H2830)(H293435)b17122713+
MFCD04081807
ZINC000001256112
ZINC000097967070
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